@MOLECULE n-sec-butyl-1-butanamine 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9478 1.7994 0.2549 C.3 1 UNL111111111 -0.4329 2 C -2.9663 0.3803 -0.3103 C.3 1 UNL111111111 -0.2680 3 C -1.7866 -0.4525 0.2472 C.3 1 UNL111111111 0.0803 4 H -1.7381 -0.3176 1.3579 H 1 UNL111111111 0.1357 5 C -2.0160 -1.9437 -0.0737 C.3 1 UNL111111111 -0.5086 6 N -0.5360 0.0789 -0.3344 N.3 1 UNL111111111 -0.5693 7 C 0.6783 -0.3852 0.3730 C.3 1 UNL111111111 -0.1069 8 C 1.9153 0.1948 -0.3359 C.3 1 UNL111111111 -0.2873 9 C 3.1837 -0.1058 0.4703 C.3 1 UNL111111111 -0.2482 10 C 4.4211 0.4352 -0.2464 C.3 1 UNL111111111 -0.4376 11 H -1.9716 2.2733 0.0719 H 1 UNL111111111 0.1649 12 H -3.7163 2.4251 -0.2081 H 1 UNL111111111 0.1350 13 H -3.1126 1.8061 1.3368 H 1 UNL111111111 0.1368 14 H -3.9205 -0.1166 -0.0590 H 1 UNL111111111 0.1327 15 H -2.9172 0.4132 -1.4142 H 1 UNL111111111 0.1370 16 H -1.2026 -2.5646 0.3138 H 1 UNL111111111 0.1471 17 H -2.9456 -2.3055 0.3766 H 1 UNL111111111 0.1513 18 H -2.0832 -2.1170 -1.1519 H 1 UNL111111111 0.1478 19 H -0.4807 -0.1151 -1.3306 H 1 UNL111111111 0.2560 20 H 0.6270 -0.0078 1.4184 H 1 UNL111111111 0.1396 21 H 0.7529 -1.4916 0.4292 H 1 UNL111111111 0.1093 22 H 2.0021 -0.2186 -1.3567 H 1 UNL111111111 0.1358 23 H 1.7894 1.2881 -0.4636 H 1 UNL111111111 0.1557 24 H 3.1070 0.3413 1.4801 H 1 UNL111111111 0.1354 25 H 3.2859 -1.1960 0.6280 H 1 UNL111111111 0.1322 26 H 5.3315 0.2410 0.3309 H 1 UNL111111111 0.1396 27 H 4.5496 -0.0287 -1.2306 H 1 UNL111111111 0.1425 28 H 4.3527 1.5183 -0.3995 H 1 UNL111111111 0.1440 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1